2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine

C14H23NO — CID 115693333

IUPAC2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
SMILESCc1ccoc1CNC1CCCCC1(C)C
InChIInChI=1S/C14H23NO/c1-11-7-9-16-12(11)10-15-13-6-4-5-8-14(13,2)3/h7,9,13,15H,4-6,8,10H2,1-3H3
InChIKeyFLPBRFNPEWMBJE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.65
Rot. Bonds3

About 2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine

2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine (PubChem CID 115693333) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
PubChem CID115693333
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
SMILESCc1ccoc1CNC1CCCCC1(C)C
InChIInChI=1S/C14H23NO/c1-11-7-9-16-12(11)10-15-13-6-4-5-8-14(13,2)3/h7,9,13,15H,4-6,8,10H2,1-3H3
InChIKeyFLPBRFNPEWMBJE-UHFFFAOYSA-N
XLogP3.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine (CID 115693333) is 2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine is Cc1ccoc1CNC1CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is FLPBRFNPEWMBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-7-9-16-12(11)10-15-13-6-4-5-8-14(13,2)3/h7,9,13,15H,4-6,8,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine?
2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 115693333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).